[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine

C16H15Cl2NO — CID 60890207

IUPAC[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OC/C=C/c1ccccc1
InChIInChI=1S/C16H15Cl2NO/c17-14-9-13(11-19)16(15(18)10-14)20-8-4-7-12-5-2-1-3-6-12/h1-7,9-10H,8,11,19H2/b7-4+
InChIKeyBWZPBLCJJMMDKM-QPJJXVBHSA-N
MW308.21 g/mol
LogP4.54
Rot. Bonds5

About [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine

[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine (PubChem CID 60890207) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
PubChem CID60890207
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
SMILESNCc1cc(Cl)cc(Cl)c1OC/C=C/c1ccccc1
InChIInChI=1S/C16H15Cl2NO/c17-14-9-13(11-19)16(15(18)10-14)20-8-4-7-12-5-2-1-3-6-12/h1-7,9-10H,8,11,19H2/b7-4+
InChIKeyBWZPBLCJJMMDKM-QPJJXVBHSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60890014
1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol
CID 62374983
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
3-chloro-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 76914544
[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine
CID 81253217
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 60904917
[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
CID 63499735
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22683172
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
CID 27266848

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine (CID 60890207) is [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine is NCc1cc(Cl)cc(Cl)c1OC/C=C/c1ccccc1.
What is the InChIKey of [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
The InChIKey is BWZPBLCJJMMDKM-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-14-9-13(11-19)16(15(18)10-14)20-8-4-7-12-5-2-1-3-6-12/h1-7,9-10H,8,11,19H2/b7-4+.
What are the key properties of [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
[3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine has a molecular weight of 308.21 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine is sourced from PubChem (CID 60890207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).